1-ethyl-6-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-3-methyl-quinoxalin-2-one

Systemtic Name: 1-ethyl-6-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-3-methyl-quinoxalin-2-one Openeye Name: 1-ethyl-6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-3-methyl-quinoxalin-2-one CAS Name: 1-ethyl-6-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]-3-methyl-2-quinoxalinone IUPAC Name: 1-ethyl-6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-3-methylquinoxalin-2-one Traditional Name: 1-ethyl-3-methyl-6-(4-p-anisyl-1,4-diazepan-4-ium-1-carbonyl)quinoxalin-2-one Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCC[NH+](CC3)CC4=CC=C(C=C4)OC)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCC[NH+](CC3)CC4=CC=C(C=C4)OC)N=C(C1=O)C

InChI

InChI=1S/C25H30N4O3/c1-4-29-23-11-8-20(16-22(23)26-18(2)24(29)30)25(31)28-13-5-12-27(14-15-28)17-19-6-9-21(32-3)10-7-19/h6-11,16H,4-5,12-15,17H2,1-3H3/p+1